0  B8R0.7  NCCCCCC(O)=O DB00513 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.4  OCCCC([O-])=O DB09072 [2,0,0,0,0,0|1,1,0]=4
2  B8R0.8  CSCC[C@H](N)C(O)=O DB00134 [1,1,0,0,0,0|1,0,0]=3